Basic information
- Standard SMILES
COC(COC(C)=O)C1OCC(OC(C)=O)C1OC(C)=O- InChIKey
MLIDUQBOSSGFFB-UHFFFAOYSA-N- Molecular formula
- C13H20O8
- Average molar mass
- 304.29 g/mol
Names & identifiers
- Preferred name
- CID 14876908
- IUPAC
- [2-(3,4-diacetyloxyoxolan-2-yl)-2-methoxyethyl] acetate
- English name
- D-Galactitol, 3,6-anhydro-2-O-methyl-, triacetate
- Molecular formula
- C13H20O8
- Molecular weight
- 304.3
Names & synonyms
D-Galactitol, 3,6-anhydro-2-O-methyl-, triacetateD-Galactitol, 3,6-anhydro-2-O-methyl-, 1,4,5-triacetate
Database identifiers
- CAS
31880-45-2
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 383.2 · 383.2±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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